SCHEMBL9543700

SCHEMBL9543700

COC(=O)c1c(SC)nc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ERCC1 P07992 2/20 0.59
FEN1 P39748 2/20 0.59
ERCC4 Q92889 2/20 0.59
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TNKS O95271 4/20 0.55
LMNA P02545 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 1/20 0.46
TNKS2 Q9H2K2 3/20 0.46
PARP1 P09874 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29331815 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL8677247 0.78 SMN1; SMN2 (0.62) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL12487999 0.73 SMN1; SMN2 (0.57) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL5821314 0.73 KDM4E (0.48) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL15931704 0.73 TSHR (0.58) SMN1; SMN2KDM4EMAPTTDP1LMNA
SCHEMBL7901099 0.71 MAPT (0.48) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL8380313 0.71 HPGD (0.65) KDM4EMAPTTDP1LMNAALDH1A1
SCHEMBL25138647 0.70 SMN1; SMN2 (0.66) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL4607219 0.69 ERCC1 (0.56) SMN1; SMN2ERCC1FEN1ERCC4KDM4E
SCHEMBL22372656 0.69 POLB (0.62) SMN1; SMN2ERCC1FEN1ERCC4KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed